2-[4-[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]-2-fluoranyl-phenyl]sulfanylethanoic acid

Systemtic Name: 2-[4-[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]-2-fluoranyl-phenyl]sulfanylethanoic acid Openeye Name: 2-[4-[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]-2-fluoro-phenyl]sulfanylacetic acid CAS Name: 2-[[4-[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]-2-fluorophenyl]thio]acetic acid IUPAC Name: 2-[4-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]-2-fluorophenyl]sulfanylacetic acid Traditional Name: 2-[[4-[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]-2-fluoro-phenyl]thio]acetic acid Formula: C18H14BrFO4S MolecularWeight: 425.268763

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)C2=CC(=C(C=C2)SCC(=O)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)C2=CC(=C(C=C2)SCC(=O)O)F

InChI

InChI=1S/C18H14BrFO4S/c1-24-16-6-4-13(19)8-12(16)2-5-15(21)11-3-7-17(14(20)9-11)25-10-18(22)23/h2-9H,10H2,1H3,(H,22,23)/b5-2+